(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

C15H18N4S — CID 97108445

IUPAC(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCc1c(CN[C@H](C)c2cnc3ccsc3c2)cnn1C
InChIInChI=1S/C15H18N4S/c1-10(16-8-13-9-18-19(3)11(13)2)12-6-15-14(17-7-12)4-5-20-15/h4-7,9-10,16H,8H2,1-3H3/t10-/m1/s1
InChIKeyBBPDRCIZWXTDME-SNVBAGLBSA-N
MW286.40 g/mol
LogP3.19
Rot. Bonds4

About (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 97108445) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID97108445
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCc1c(CN[C@H](C)c2cnc3ccsc3c2)cnn1C
InChIInChI=1S/C15H18N4S/c1-10(16-8-13-9-18-19(3)11(13)2)12-6-15-14(17-7-12)4-5-20-15/h4-7,9-10,16H,8H2,1-3H3/t10-/m1/s1
InChIKeyBBPDRCIZWXTDME-SNVBAGLBSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 97108445) is (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is Cc1c(CN[C@H](C)c2cnc3ccsc3c2)cnn1C.
What is the InChIKey of (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is BBPDRCIZWXTDME-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10(16-8-13-9-18-19(3)11(13)2)12-6-15-14(17-7-12)4-5-20-15/h4-7,9-10,16H,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 286.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 97108445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).